Task 38685525
| Name | test_996-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND4488_1 |
| Workunit | 31626980 |
| Created | 27 Oct 2026, 21:31:55 UTC |
| Sent | 27 Oct 2026, 21:32:05 UTC |
| Report deadline | 1 Nov 2026, 21:32:05 UTC |
| Received | 27 Oct 2026, 22:19:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654477 |
| Run time | 43 min 2 sec |
| CPU time | 39 min |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,184.41 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 665.68 MB |
| Peak swap size | 6.74 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:36:41 (21372): wrapper (7.9.26016): starting
22:36:41 (21372): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
22:36:43 (21372): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:36:43 (21372): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\29\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\29\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
23:17:30 (21372): C:/Windows/system32/cmd.exe exited; CPU time 2340.078125
23:17:30 (21372): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 56246685 bytes.
Dumping objects ->
{3835281} normal block at 0x000002441BA36360, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835270} normal block at 0x000002441BA35FE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835259} normal block at 0x000002441BA36050, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835248} normal block at 0x000002441BA35B80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835237} normal block at 0x000002441BA35B10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835206} normal block at 0x000002441BAFCE20, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835195} normal block at 0x000002441BAC3450, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835192} normal block at 0x0000024419DB05D0, 8 bytes long.
Data: < Ã D > 00 00 C3 19 44 02 00 00
{3834567} normal block at 0x000002441BAC3660, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x0000024419DB08F0, 8 bytes long.
Data: <àί D > E0 CE AF 1B 44 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000024419DADA40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000024419DA7590, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000024419DBB140, 16 bytes long.
Data: <(µÛ D > 28 B5 DB 19 44 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024419DBA3D0, 16 bytes long.
Data: < µÛ D > 00 B5 DB 19 44 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024419DB5A10, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000024419DBA650, 16 bytes long.
Data: <Ø´Û D > D8 B4 DB 19 44 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024419DBAE20, 16 bytes long.
Data: <°´Û D > B0 B4 DB 19 44 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024419DBAEC0, 16 bytes long.
Data: < ´Û D > 88 B4 DB 19 44 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024419DBB0F0, 16 bytes long.
Data: <`´Û D > 60 B4 DB 19 44 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024419DB49A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000024419DBAD30, 16 bytes long.
Data: <¸ëÙ D > B8 EB D9 19 44 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024419DB5E90, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000024419DBACE0, 16 bytes long.
Data: < ëÙ D > 90 EB D9 19 44 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024419DBA880, 16 bytes long.
Data: <hëÙ D > 68 EB D9 19 44 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024419DBA4C0, 16 bytes long.
Data: <@ëÙ D > 40 EB D9 19 44 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024419DBA2E0, 16 bytes long.
Data: < ëÙ D > 18 EB D9 19 44 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024419DBA420, 16 bytes long.
Data: <ðêÙ D > F0 EA D9 19 44 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024419DBAC90, 16 bytes long.
Data: <ÈêÙ D > C8 EA D9 19 44 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024419DB6670, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000024419DBB0A0, 16 bytes long.
Data: < êÙ D > A0 EA D9 19 44 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024419D9EAA0, 320 bytes long.
Data: < °Û D pfÛ D > A0 B0 DB 19 44 02 00 00 70 66 DB 19 44 02 00 00
{275} normal block at 0x0000024419DBADD0, 16 bytes long.
Data: <@´Û D > 40 B4 DB 19 44 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024419DBA290, 16 bytes long.
Data: < ´Û D > 18 B4 DB 19 44 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024419DB6550, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000024419DBABA0, 16 bytes long.
Data: <ð³Û D > F0 B3 DB 19 44 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024419DB65B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000024419DBAC40, 16 bytes long.
Data: <8³Û D > 38 B3 DB 19 44 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024419DBAB00, 16 bytes long.
Data: < ³Û D > 10 B3 DB 19 44 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024419DBAAB0, 16 bytes long.
Data: <è²Û D > E8 B2 DB 19 44 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024419DBA600, 16 bytes long.
Data: <À²Û D > C0 B2 DB 19 44 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024419DBA380, 16 bytes long.
Data: < ²Û D > 98 B2 DB 19 44 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024419DBA740, 16 bytes long.
Data: <p²Û D > 70 B2 DB 19 44 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024419DBA920, 16 bytes long.
Data: <`KÛ D > 60 4B DB 19 44 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024419DB4B60, 40 bytes long.
Data: < ©Û D ί D > 20 A9 DB 19 44 02 00 00 20 CE AF 1B 44 02 00 00
{261} normal block at 0x0000024419DBA7E0, 16 bytes long.
Data: <P²Û D > 50 B2 DB 19 44 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024419DBA790, 16 bytes long.
Data: <(²Û D > 28 B2 DB 19 44 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024419DB67F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000024419DBA9C0, 16 bytes long.
Data: < ²Û D > 00 B2 DB 19 44 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000024419DBB200, 992 bytes long.
Data: <À©Û D ðgÛ D > C0 A9 DB 19 44 02 00 00 F0 67 DB 19 44 02 00 00
{93} normal block at 0x0000024419DB5CB0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x0000024419DB0E40, 16 bytes long.
Data: <pGÛ D > 70 47 DB 19 44 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000024419DB4770, 40 bytes long.
Data: <@ Û D °\Û D > 40 0E DB 19 44 02 00 00 B0 5C DB 19 44 02 00 00
{70} normal block at 0x0000024419DB0530, 16 bytes long.
Data: < ê‘x÷ > 80 EA 91 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000024419DB0670, 16 bytes long.
Data: <@é‘x÷ > 40 E9 91 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024419DB0F80, 16 bytes long.
Data: <øWŽx÷ > F8 57 8E 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024419DB0760, 16 bytes long.
Data: <ØWŽx÷ > D8 57 8E 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024419DB0DF0, 16 bytes long.
Data: <P Žx÷ > 50 04 8E 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024419DB0A80, 16 bytes long.
Data: <0 Žx÷ > 30 04 8E 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024419DB0DA0, 16 bytes long.
Data: <à Žx÷ > E0 02 8E 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024419DB0D00, 16 bytes long.
Data: < Žx÷ > 10 04 8E 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024419DB0620, 16 bytes long.
Data: <p Žx÷ > 70 04 8E 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000024419DB0EE0, 16 bytes long.
Data: < ÀŒx÷ > 18 C0 8C 78 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra